tert-butyl 4-[2-[2-[[2-[(2-chlorophenyl)sulfonyl-(phenylmethyl)amino]phenyl]amino]ethanoyloxy]-2-phenyl-ethyl]piperidine-3-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-[[2-[(2-chlorophenyl)sulfonyl-(phenylmethyl)amino]phenyl]amino]ethanoyloxy]-2-phenyl-ethyl]piperidine-3-carboxylate Openeye Name: tert-butyl 4-[2-[2-[2-[benzyl-(2-chlorophenyl)sulfonyl-amino]anilino]acetyl]oxy-2-phenyl-ethyl]piperidine-3-carboxylate CAS Name: 4-[2-[2-[2-[(2-chlorophenyl)sulfonyl-(phenylmethyl)amino]anilino]-1-oxoethoxy]-2-phenylethyl]-3-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-[2-[benzyl-(2-chlorophenyl)sulfonylamino]anilino]acetyl]oxy-2-phenylethyl]piperidine-3-carboxylate Traditional Name: 4-[2-[2-[2-[benzyl-(2-chlorophenyl)sulfonyl-amino]anilino]acetyl]oxy-2-phenyl-ethyl]nipecotic acid tert-butyl ester Formula: C39H44ClN3O6S MolecularWeight: 718.30116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCC1CC(C2=CC=CC=C2)OC(=O)CNC3=CC=CC=C3N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCC1CC(C2=CC=CC=C2)OC(=O)CNC3=CC=CC=C3N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C39H44ClN3O6S/c1-39(2,3)49-38(45)31-25-41-23-22-30(31)24-35(29-16-8-5-9-17-29)48-37(44)26-42-33-19-11-12-20-34(33)43(27-28-14-6-4-7-15-28)50(46,47)36-21-13-10-18-32(36)40/h4-21,30-31,35,41-42H,22-27H2,1-3H3